Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-2.3674 -1.0768 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2230 -1.8535 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.1859 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2213 -1.8341 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3819 -1.0516 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3327 0.3412 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1093 0.9795 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 0.1869 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1148 0.9889 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3237 0.3141 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6844 2.3921 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 2.3870 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3230 -1.5806 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2294 -2.9242 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2413 -2.9127 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3345 -1.5310 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 0.9509 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2225 0.9135 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3215 3.2485 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3053 3.2476 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers